SCHEMBL4056533

SCHEMBL4056533

Cn1c(=O)oc2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.68
TSHR P16473 2/20 0.68
POLB P06746 3/20 0.66
LMNA P02545 2/20 0.64
GFER P55789 1/20 0.61
APEX1 P27695 1/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 2/20 0.56
ATM Q13315 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3175230 0.84 PKM (0.63) PKMTSHRPOLBLMNAGFER
SCHEMBL3372996 0.84 PKM (0.63) PKMTSHRPOLBLMNAGFER
SCHEMBL8198169 0.81 PKM (0.60) PKMTSHRPOLBLMNAGFER
SCHEMBL14114766 0.78 TSHR (0.58) PKMTSHRPOLBLMNAGFER
SCHEMBL7534907 0.78 PKM (0.64) PKMTSHRPOLBLMNAGFER
SCHEMBL2308656 0.76 PKM (0.59) PKMTSHRPOLBLMNAGFER
SCHEMBL7505054 0.75 MEN1 (0.73) PKMTSHRPOLBLMNAMEN1
SCHEMBL7541039 0.75 PKM (0.75) PKMTSHRPOLBLMNAGFER
SCHEMBL1025445 0.74 PKM (0.58) PKMTSHRPOLBLMNAGFER
SCHEMBL7504961 0.74 LMNA (0.72) PKMTSHRPOLBLMNAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079701-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-22 EP claimed
WO-2008043544-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-04-17 WO claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 PKM 1602/4885TSHR 846/4885POLB 3424/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.